CID 90472430

Cycloneomammein

Structural Information

Molecular Formula
C22H28O6
SMILES
CCCC1=CC(=O)OC2=C(C(=C3CC(OC3=C12)C(C)(C)O)O)C(=O)C(C)CC
InChI
InChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-21-16(12)20-13(10-14(27-20)22(4,5)26)19(25)17(21)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3
InChIKey
YVCSPVUIXKMOLW-UHFFFAOYSA-N
Compound name
4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(2-methylbutanoyl)-9-propyl-2,3-dihydrofuro[2,3-f]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1886 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19588 191.2
[M+Na]+ 411.17782 201.4
[M+NH4]+ 406.22242 196.1
[M+K]+ 427.15176 200.2
[M-H]- 387.18132 192.9
[M+Na-2H]- 409.16327 189.8
[M]+ 388.18805 193.0
[M]- 388.18915 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.